4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C16H22BrN3O2 — CID 113105582

IUPAC4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN3O2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)16(21)18-12-15-2-1-11-22-15/h3-6,15H,1-2,7-12H2,(H,18,21)
InChIKeyZUBWGOIMAOYVMN-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.46
Rot. Bonds3

About 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105582) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105582
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN3O2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)16(21)18-12-15-2-1-11-22-15/h3-6,15H,1-2,7-12H2,(H,18,21)
InChIKeyZUBWGOIMAOYVMN-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
4-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 2957974
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 19654469
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
2-(4-bromophenyl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 82124945
N-[[(2S)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812050
N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812051
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105582) is 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCCO1)N1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZUBWGOIMAOYVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)16(21)18-12-15-2-1-11-22-15/h3-6,15H,1-2,7-12H2,(H,18,21).
What are the key properties of 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).